2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile

C13H18N4S — CID 43291625

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H18N4S/c14-10-11-2-1-3-12(11)16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12H,1-3,5-8H2
InChIKeyRIFVOOBADTVGCI-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.96
Rot. Bonds2

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 43291625) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile
PubChem CID43291625
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H18N4S/c14-10-11-2-1-3-12(11)16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12H,1-3,5-8H2
InChIKeyRIFVOOBADTVGCI-UHFFFAOYSA-N
XLogP1.96
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
CID 79643158
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94031670
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291800
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976803
3-cyclopropyl-5-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 75375798

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile (CID 43291625) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile is N#CC1CCCC1N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is RIFVOOBADTVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c14-10-11-2-1-3-12(11)16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12H,1-3,5-8H2.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 262.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43291625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).